UCSF

ZINC58343945

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 18 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 -0.06 -21.14 1 6 0 90 273.358 6
Mid Mid (pH 6-8) 0.13 1.93 -62.13 2 6 1 91 274.366 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )